Results of druggability analysis of mammalian crystal structures in the PDB (as of June 30, 2012) with inclusion of light protein flexibility.

The “Structures” column provides the number of unique PDB entries represented, and “Proteins” represents the number of unique Swiss-Prot entries.
1Dscore+>1.3 for original rigid structure.
2Dscore+≥1.7, drug-like volume (160–800 Å3) after flexibility modeling, protein at least 100 amino acids in size (equivalent to about 10 kDa molecular weight).
3Intermolecular interfaces are further defined to include only protein-protein interaction dimer interfaces and protein-ligand pockets.
4Cryptic pockets are further defined as pockets that are less than 100 Å3 in volume in the crystal structure, but fall into the drug-like volume range after modeling of protein flexibility. An additional criteria of enclosure <96% was applied to eliminate small buried sites.